(phenylmethyl) 4-[2-oxidanylidene-3-(1,4,7,10-tetrazacyclododec-1-yl)pyrrolidin-1-yl]benzoate

Systemtic Name: (phenylmethyl) 4-[2-oxidanylidene-3-(1,4,7,10-tetrazacyclododec-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: benzyl 4-[2-oxo-3-(1,4,7,10-tetrazacyclododec-1-yl)pyrrolidin-1-yl]benzoate CAS Name: 4-[2-oxo-3-(1,4,7,10-tetrazacyclododec-1-yl)-1-pyrrolidinyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-oxo-3-(1,4,7,10-tetrazacyclododec-1-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[2-keto-3-(1,4,7,10-tetrazacyclododec-1-yl)pyrrolidino]benzoic acid benzyl ester Formula: C26H35N5O3 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1N2CCNCCNCCNCC2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)C1N2CCNCCNCCNCC2)C3=CC=C(C=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H35N5O3/c32-25-24(30-18-15-28-13-11-27-12-14-29-16-19-30)10-17-31(25)23-8-6-22(7-9-23)26(33)34-20-21-4-2-1-3-5-21/h1-9,24,27-29H,10-20H2